2-(dimethylamino)-8-(2-fluorophenyl)pyrano[2,3-c]pyridin-4-one

C16H13FN2O2 — CID 134805452

IUPAC2-(dimethylamino)-8-(2-fluorophenyl)pyrano[2,3-c]pyridin-4-one
SMILESCN(C)c1cc(=O)c2ccnc(-c3ccccc3F)c2o1
InChIInChI=1S/C16H13FN2O2/c1-19(2)14-9-13(20)11-7-8-18-15(16(11)21-14)10-5-3-4-6-12(10)17/h3-9H,1-2H3
InChIKeyJCXDFEQAJPVNAG-UHFFFAOYSA-N
MW284.29 g/mol
LogP3.06
Rot. Bonds2

About 2-(dimethylamino)-8-(2-fluorophenyl)pyrano[2,3-c]pyridin-4-one

2-(dimethylamino)-8-(2-fluorophenyl)pyrano[2,3-c]pyridin-4-one (PubChem CID 134805452) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is 2-(dimethylamino)-8-(2-fluorophenyl)pyrano[2,3-c]pyridin-4-one.

Molecular Properties

Compound Name2-(dimethylamino)-8-(2-fluorophenyl)pyrano[2,3-c]pyridin-4-one
PubChem CID134805452
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC Name2-(dimethylamino)-8-(2-fluorophenyl)pyrano[2,3-c]pyridin-4-one
SMILESCN(C)c1cc(=O)c2ccnc(-c3ccccc3F)c2o1
InChIInChI=1S/C16H13FN2O2/c1-19(2)14-9-13(20)11-7-8-18-15(16(11)21-14)10-5-3-4-6-12(10)17/h3-9H,1-2H3
InChIKeyJCXDFEQAJPVNAG-UHFFFAOYSA-N
XLogP3.06
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-8-(2-fluorophenyl)pyrano[2,3-c]pyridin-4-one?
The IUPAC name of 2-(dimethylamino)-8-(2-fluorophenyl)pyrano[2,3-c]pyridin-4-one (CID 134805452) is 2-(dimethylamino)-8-(2-fluorophenyl)pyrano[2,3-c]pyridin-4-one.
What is the SMILES notation for 2-(dimethylamino)-8-(2-fluorophenyl)pyrano[2,3-c]pyridin-4-one?
The canonical SMILES for 2-(dimethylamino)-8-(2-fluorophenyl)pyrano[2,3-c]pyridin-4-one is CN(C)c1cc(=O)c2ccnc(-c3ccccc3F)c2o1.
What is the InChIKey of 2-(dimethylamino)-8-(2-fluorophenyl)pyrano[2,3-c]pyridin-4-one?
The InChIKey is JCXDFEQAJPVNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2/c1-19(2)14-9-13(20)11-7-8-18-15(16(11)21-14)10-5-3-4-6-12(10)17/h3-9H,1-2H3.
What are the key properties of 2-(dimethylamino)-8-(2-fluorophenyl)pyrano[2,3-c]pyridin-4-one?
2-(dimethylamino)-8-(2-fluorophenyl)pyrano[2,3-c]pyridin-4-one has a molecular weight of 284.29 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-8-(2-fluorophenyl)pyrano[2,3-c]pyridin-4-one is sourced from PubChem (CID 134805452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).